V003-2781 Screening compound: N-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)amino]-2-phenylpyrimidine-5-carboxamide

V003-2781 Screening compound: N-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)amino]-2-phenylpyrimidine-5-carboxamide
V003-2781 Screening compound: N-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)amino]-2-phenylpyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2781
N-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)amino]-2-phenylpyrimidine-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V003-2781

Molecular Formula

C30H31N5O2 (C30 H31 N5 O2)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)amino]-2-phenylpyrimidine-5-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)amino]-2-phenylpyrimidine-5-carboxamide

SMILES

COc1cccc(Nc(nc(-c2ccccc2)nc2)c2C(NC2CCN(Cc3ccccc3)CC2)=O)c1

InChI

InChI=1S/C30H31N5O2/c1-37-26-14-8-13-25(19-26)32-29-27(20-31-28(34-29)23-11-6-3-7-12-23)30(36)33-24-15-17-35(18-16-24)21-22-9-4-2-5-10-22/h2-14,19-20,24H,15-18,21H2,1H3,(H,33,36)(H,31,32,34)

InChI Key

TZTSALDEXDBAAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973607

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.402

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-5.31

Polar Surface Area

63.835

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V003-2781 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2781?
Check Price and Availability of V003-2781, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2781
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V003-2781 available by request